6-(4-methoxyphenyl)-2-methylhexan-3-amine

C14H23NO — CID 83932077

IUPAC6-(4-methoxyphenyl)-2-methylhexan-3-amine
SMILESCOc1ccc(CCCC(N)C(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)14(15)6-4-5-12-7-9-13(16-3)10-8-12/h7-11,14H,4-6,15H2,1-3H3
InChIKeyANIZAVXTHFUJNW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds6

About 6-(4-methoxyphenyl)-2-methylhexan-3-amine

6-(4-methoxyphenyl)-2-methylhexan-3-amine (PubChem CID 83932077) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-methylhexan-3-amine
PubChem CID83932077
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6-(4-methoxyphenyl)-2-methylhexan-3-amine
SMILESCOc1ccc(CCCC(N)C(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)14(15)6-4-5-12-7-9-13(16-3)10-8-12/h7-11,14H,4-6,15H2,1-3H3
InChIKeyANIZAVXTHFUJNW-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(4-methoxyphenyl)-2-methylhexan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-iodophenyl)-2-methylhexan-3-amine
CID 65489366
6-(4-tert-butylphenyl)-2-methylhexan-3-amine
CID 64504626
6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride
CID 86602816
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
8-(4-methoxyphenyl)octan-4-amine
CID 65442846
3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol
CID 79423809
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene
CID 167114293
6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine
CID 83942665
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-methylhexan-3-amine?
The IUPAC name of 6-(4-methoxyphenyl)-2-methylhexan-3-amine (CID 83932077) is 6-(4-methoxyphenyl)-2-methylhexan-3-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-methylhexan-3-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-2-methylhexan-3-amine is COc1ccc(CCCC(N)C(C)C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-methylhexan-3-amine?
The InChIKey is ANIZAVXTHFUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)14(15)6-4-5-12-7-9-13(16-3)10-8-12/h7-11,14H,4-6,15H2,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)-2-methylhexan-3-amine?
6-(4-methoxyphenyl)-2-methylhexan-3-amine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-methylhexan-3-amine is sourced from PubChem (CID 83932077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).